SCHEMBL6921771

SCHEMBL6921771

CCCOc1ccccc1C(=O)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3noc(=O)[nH]3)[nH]c12.O=C(COc1ccc2ccccc2c1)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3noc(=O)[nH]3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
GBA1 P04062 1/20 0.40
GAA P10253 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PNLIP P16233 1/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
POLB P06746 3/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LCLAT1 Q6UWP7 1/20 0.37
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNMA1 Q12791 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6713639 0.92 TP53 (0.42) MAPTGBA1GAARXFP1PNLIP
SCHEMBL6709883 0.91 GAA (0.47) MAPTGAARXFP1MEN1KMT2A
SCHEMBL6708672 0.85 NPC1 (0.46) MAPTGAARXFP1POLBTP53
SCHEMBL6711397 0.84 TP53 (0.41) MAPTGAARXFP1MEN1KMT2A
SCHEMBL6707769 0.83 MEN1 (0.48) MAPTGAARXFP1MEN1KMT2A
SCHEMBL6713914 0.82 RXFP1 (0.44) MAPTGAARXFP1MEN1KMT2A
SCHEMBL6710253 0.82 TP53 (0.43) MAPTRXFP1MEN1KMT2APOLB
SCHEMBL6713838 0.82 GRIK1 (0.41) MAPTPOLBTP53LMNA
SCHEMBL6712433 0.81 GRIK1 (0.42) MAPTGAAMEN1KMT2APOLB
SCHEMBL6713903 0.81 GAA (0.43) MAPTGAARXFP1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed